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3-(1,3-benzothiazol-2-yl)-7-octadecoxy-chromen-2-one

3-(1,3-benzothiazol-2-yl)-7-octadecoxy-chromen-2-one

Systemtic Name:3-(1,3-benzothiazol-2-yl)-7-octadecoxy-chromen-2-one
Openeye Name:3-(1,3-benzothiazol-2-yl)-7-octadecoxy-chromen-2-one
CAS Name:3-(1,3-benzothiazol-2-yl)-7-octadecoxy-1-benzopyran-2-one
IUPAC Name:3-(1,3-benzothiazol-2-yl)-7-octadecoxychromen-2-one
Traditional Name:3-(1,3-benzothiazol-2-yl)-7-stearyloxy-coumarin
Formula: C34H45NO3S
MolecularWeight: 547.791
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3


InChI

InChI=1S/C34H45NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-37-28-23-22-27-25-29(34(36)38-31(27)26-28)33-35-30-20-17-18-21-32(30)39-33/h17-18,20-23,25-26H,2-16,19,24H2,1H3


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